[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid CAS Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid Traditional Name: [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid Formula: C11H19N5O9P2 MolecularWeight: 427.244182

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C11H19N5O9P2/c12-11-14-9-8(10(17)15-11)13-4-16(9)1-7(2-24-5-26(18,19)20)3-25-6-27(21,22)23/h4,7H,1-3,5-6H2,(H2,18,19,20)(H2,21,22,23)(H3,12,14,15,17)